Month: October 2022

Shao, Zhihui; Zhong, Rui; Ferraccioli, Raffaella; Li, Yibiao; Liu, Qiang published the artcile< General and Phosphine-Free Cobalt-Catalyzed Hydrogenation of Esters to Alcohols>, Application In Synthesis of 93-60-7, the main research area is ester cobalt catalyst hydrogenation; lactone cobalt catalyst hydrogenation; alc preparation.

The first non-noble metal catalytic system that enabled an efficient hydrogenation of non-activated esters to alcs. in the absence of phosphine ligands (with a maximum turnover number of 2391) was described. The general applicability of this protocol was demonstrated by the high-yielding hydrogenation of 39 ester substrates including aromatic/aliphatic esters, lactones, polyesters and various pharmaceutical mols.

Chinese Journal of Chemistry published new progress about Alcohols Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation). 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Application In Synthesis of 93-60-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Breitenbach, Benjamin B.; Steiert, Elena; Konhaeuser, Matthias; Vogt, Lea-Marie; Wang, Yujen; Parekh, Sapun H.; Wich, Peter R. published the artcile< Double stimuli-responsive polysaccharide block copolymers as green macrosurfactants for near-infrared photodynamic therapy>, Application In Synthesis of 2127-03-9, the main research area is polysaccharide copolymer surfactant photodynamic therapy nearinfrared radiation.

The NIR absorbing photosensitizer phthalocyanine zinc (PC(Zn)) was stabilized in aqueous media as water-dispersible nanoparticles with a reduction- and pH-responsive full polysaccharide block copolymer. A cellular uptake and also photo switchable intracellular activity of the cargo upon irradiation at wavelengths in the near IR region were shown. The block copolymer was synthesized by applying a copper-free click strategy based on a thiol exchange reaction, creating an amphiphilic double-stimuli-responsive mixed disulfide. The dual-sensitive polysaccharide micelles represent a non-toxic and biodegradable green macrosurfactant for the delivery of phthalocyanine zinc. By encapsulation into micellar nanoparticles, the bioavailability of PC(Zn) increased significantly, enabling smart photodynamic therapy for future applications in cancer-related diseases.

Soft Matter published new progress about Bioavailability. 2127-03-9 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2S2, Application In Synthesis of 2127-03-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

He, Chengzhi; Li, Shuai; Gao, Xiaoqing; Xiao, Adam; Hu, Chunguang; Hu, Xiaodong; Hu, Xiaotang; Li, Hongbin published the artcile< Direct observation of the fast and robust folding of a slipknotted protein by optical tweezers>, Computed Properties of 2127-03-9, the main research area is slipknotted protein folding optical tweezer direct observation.

Understanding the folding mechanism of knotted and slipknotted proteins has attracted considerable interest. Due to their topol. complexity, knotted and slipknotted proteins are predicted to fold slowly and involve large topol. barriers. Mol. dynamics simulation studies suggest that a slipknotted conformation can serve as an important intermediate to help greatly reduce the topol. difficulty during the folding of some knotted proteins. Here we use a single mol. optical tweezers technique to directly probe the folding of a small slipknotted protein AFV3-109. We found that stretching AFV3-109 can lead to the untying of the slipknot and complete unfolding of AFV3-109. Upon relaxation, AFV3-109 can readily refold back to its native slipknot conformation with high fidelity when the stretching force is lower than 6 pN. The refolding of AFV3-109 occurs in a sharp two-state like transition. Our results indicate that, different from knotted proteins, the folding of a slipknotted protein like AFV3-109 can be fast, and may not necessarily involve a high topol. barrier.

Nanoscale published new progress about Denaturation. 2127-03-9 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2S2, Computed Properties of 2127-03-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Nishiyama, Hisao published the artcile< Synthesis and reactivity of organometallic complexes with C2-symmetrical optically active nitrogen-ligands. Asymmetric catalytic oxidation>, Name: 6,6′-Bis(4-(S)-isopropyl-2-oxazolinyl)-2,2′-bipyridine, the main research area is ruthenium oxazolinyl pyridine catalyst asym oxidation; oxazolinyl bipyridine ruthenium catalyst asym oxidation.

Two types of optically active nitrogen-ligands having C2-symmetry, bis(oxazolinyl)pyridine (Pybox) and bis(oxazolinyl)bipyridine (Bipymox), were developed for asym. catalytic reactions. The nitrogen ligands gave stable complexes by the reaction with ruthenium(II) chloride complex. The structures of the Pybox- and Bipymox-ruthenium complexes were analyzed by x-ray and electrochem. Their complexes of ruthenium(II) exhibited strong activities of oxidation of secondary alcs. and epoxidation of olefins with asym. induction. During this study, highly efficient enantioselective hydrosilylation of ketones and cyclopropanation reaction were discovered.

Asahi Garasu Zaidan Josei Kenkyu Seika Hokoku published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 147409-41-4 belongs to class pyridine-derivatives, and the molecular formula is C22H26N4O2, Name: 6,6′-Bis(4-(S)-isopropyl-2-oxazolinyl)-2,2′-bipyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Schubert, S.; Brans, R.; Reich, A.; Hansen, A.; Buhl, T.; Skudlik, C.; Mempel, M.; Schoen, M. P.; John, S. M.; Geier, J. published the artcile< Assessment of occupational exposure and spectrum of contact sensitization in metalworkers with occupational dermatitis: results of a cohort study within the OCCUDERM project>, Recommanded Product: 2-Mercaptopyridinen-oxide sodiumsalt, the main research area is occupational exposure contact sensitization dermatitis.

Background : Metalworkers occupationally exposed to metals, tools, metalworking fluids (MWFs), tech. oils, gloves, skin care products etc. frequently suffer from occupational dermatitis (OD). Objectives : To investigate occupational exposure and to identify relevant occupational sensitizers in metalworkers with OD, and to evaluate suitability of current German patch test recommendations for this occupational group. Patients and methods : As part of the OCCUDERM project, occupational exposure of 230 metalworkers with suspected OD patch tested in the departments of dermatol. in Goettingen and Osnabrueck (both Lower Saxony, Germany) in 2012-2017 was recorded by questionnaire. These data, as well as results, of patch testing with standardized allergens and with workplace material were analyzed. Results : Metalworking fluids and skin care products were the most important exposures. Among MWF allergens, most frequently sensitizations to formaldehyde and formaldehyde releasers, colophony/abietic acid and monoethanolamine were observed Sensitization to methylisothiazolinone (MI) was frequent, probably as part of the general European epidemic of contact allergy to MI in leave-on cosmetics. Sensitization to glove ingredients only played a minor role. Conclusions : The known occupational allergen spectrum could largely be confirmed. In order not to miss relevant sensitizations, patch testing with material from the patients workplaces in parallel to baseline and MWF series is recommended. Sensitizations diagnosed could not always be linked to particular occupational exposures.

Journal of the European Academy of Dermatology and Venereology published new progress about Allergic contact dermatitis. 3811-73-2 belongs to class pyridine-derivatives, and the molecular formula is C5H4NNaOS, Recommanded Product: 2-Mercaptopyridinen-oxide sodiumsalt.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Fizer, Maksym; Fizer, Oksana; Sidey, Vasyl; Mariychuk, Ruslan; Studenyak, Yaroslav published the artcile< Experimental and theoretical study on cetylpyridinium dipicrylamide - A promising ion-exchanger for cetylpyridinium selective electrodes>, SDS of cas: 123-03-5, the main research area is exptl theor cetylpyridinium dipicrylamide ion exchanger; cetylpyridinium phthalate ion selective electrode.

The cetylpyridinium (CP) dipicrylamide (DPA) ion pair was synthesized and characterized by the FTIR and NMR (1H and 13C) spectroscopy, theor. studied and tested as ion-exchanger for cetylpyridinium selective electrodes. The mol. dynamics and further DFT optimization indicate face-to-face π-π stacking interaction between pyridinium and 2,4,6-trinitrophenyl rings. The presence of weak interactions between hydrogens of cetyl chain and oxygens of nitro groups of DPA anion was confirmed by RDG function anal. Numeric reactivity descriptors computed at the B3LYP/6-31+G(d,p) level of theory show that CP-DPA has electrophilic character and can readily react with bases. Two fabricated electrodes with the CP-DPA ion-exchanger showed near-Nernstian responses towards CP chloride in the concentration range from 1 × 10-2 to 1 × 10-5 mol/L. In the case where di-Bu phthalate was used as plasticizer, the slope is 57.2 ± 1.3 mV/decade, whereas for the case of dioctyl phthalate the slope is 61.6 ± 1.2 mV/decade.

Journal of Molecular Structure published new progress about Density functional theory, B3LYP. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, SDS of cas: 123-03-5.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Duplantier, Allen J.; Becker, Stacey L.; Bohanon, Michael J.; Borzilleri, Kris A.; Chrunyk, Boris A.; Downs, James T.; Hu, Lain-Yen; El-Kattan, Ayman; James, Larry C.; Liu, Shenping; Lu, Jiemin; Maklad, Noha; Mansour, Mahmoud N.; Mente, Scot; Piotrowski, Mary A.; Sakya, Subas M.; Sheehan, Susan; Steyn, Stefanus J.; Strick, Christine A.; Williams, Victoria A.; Zhang, Lei published the artcile< Discovery, SAR, and Pharmacokinetics of a Novel 3-Hydroxyquinolin-2(1H)-one Series of Potent D-Amino Acid Oxidase (DAAO) Inhibitors>, COA of Formula: C6H6N2O, the main research area is amino acid oxidase inhibitor hydroxyquinolinone preparation SAR.

3-Hydroxyquinolin-2(1H)-one (2) was discovered by high throughput screening in a functional assay to be a potent inhibitor of human DAAO, and its binding affinity was confirmed in a Biacore assay. Cocrystn. of 2 with the human DAAO enzyme defined the binding site and guided the design of new analogs. The SAR, pharmacokinetics, brain exposure, and effects on cerebellum D-serine are described. Subsequent evaluation against the rat DAAO enzyme revealed a divergent SAR vs. the human enzyme and may explain the high exposures of drug necessary to achieve significant changes in rat or mouse cerebellum D-serine.

Journal of Medicinal Chemistry published new progress about Cerebellum. 55279-29-3 belongs to class pyridine-derivatives, and the molecular formula is C6H6N2O, COA of Formula: C6H6N2O.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Alper, Pinar; Erkisa, Merve; Genckal, Hasene Mutlu; Sahin, Saliha; Ulukaya, Engin; Ari, Ferda published the artcile< Synthesis, characterization, anticancer and antioxidant activity of new nickel(II) and copper(II) flavonoid complexes>, Recommanded Product: 2,2′-Bipyridine, the main research area is nickel copper naringenin quercetin bipyridine terpyridine flavonoid preparation; anticancer antioxidant activity nickel copper flavonoid complex.

Flavonoids are natural products which are known to have biol. activity for human health. In this study, new mixed ligand complexes of Ni(II) and Cu(II) were synthesized by using flavonoid (quercetin or naringenin) and heterocyclic imine (2,2′:6′,2”-terpyridine or 2,2′-bipyridine) ligands. The new complexes are [Ni(narH-1)(terpy)Cl].4H2O (1, nar = naringenin, terpy = 2,2′:6′,2”-terpyridine), [Cu(narH-1)(terpy)Cl].H2O (2), and [Cu(queH-1)(bpy)(O3N)].1.5H2O (3, que = quercetin, bpy = 2,2′-bipyridine). The structural features of the synthesized mixed ligand complexes were investigated using elemental anal., thermogravimetric anal., Fourier transform IR spectroscopy, magnetic susceptibility and molar conductivity measurements. The resulting data demonstrated an octahedral geometry for Complex 1 and Complex 2 and square pyramidal geometry for Complex 3. Antioxidant capacity and total phenolic content of Complexes 1-3 were measured by the Folin-Ciocalteu and ABTS methods. Antiproliferative effect of complexes were tested by SRB and ATP assays on MCF-7 (breast cancer), A549 (nonsmall cell lung cancer), PC-3 (prostate cancer) and HeLa (human cervical cancer) cell lines. Apoptosis was identified using by the fluorescence imaging, caspase cleaved cytokeratin-18 and flow cytometry anal. Complex 2 and 3 had high total phenolic content and antioxidant activity. Complex 2 was found to show selective cytotoxicity through the induction of apoptosis on MCF-7 cells with having a very low IC50 value (<0.8 μM; the half maximum inhibitory concentration) while its ligands showed much higher cytotoxicity (IC50 > 50 μM). In conclusion, Complex 2 is a highly promising and novel compound for breast cancer and warrants further animal experiments

Journal of Molecular Structure published new progress about Antioxidants. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Recommanded Product: 2,2′-Bipyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Pegu, David published the artcile< Analysis of molecular structure, vibrational spectra and electronic properties of 2-amino-3-nitro-6-picoline by density functional methods>, Recommanded Product: 2-Amino-3-nitro-6-picoline, the main research area is amino nitro picoline mol structure IR Raman electrostatic potential.

In the present study the geometrical parameters and vibrational spectroscopic properties of the compound 2-amino-3-nitro-6-picoline (2A3N6P) have been calculated by using Harteree-Fock and D. functional method (B3LYP) with 6-311++G(d,p) basis set. The calculated optimized structural parameters and the scaled frequencies are investigated and compared with earlier reported data. The complete vibrational assignment and anal. of the fundamental modes of the mol. were carried out. In addition, mol. electrostatic potential and total electron d. has been analyzed to investigate size, shape, charge d. distribution and site on chem. reactivity of the mol. Finally the Mullikan at. charges of the compound have been studied.

Pharma Chemica published new progress about Atomic charge. 21901-29-1 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, Recommanded Product: 2-Amino-3-nitro-6-picoline.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Rechitskaya, E. D.; Kuratieva, N. V.; Lider, E. V.; Eremina, J. A.; Klyushova, L. S.; Eltsov, I. V.; Kostin, G. A. published the artcile< Tuning of cytotoxic activity by bio-mimetic ligands in ruthenium nitrosyl complexes>, Application In Synthesis of 93-60-7, the main research area is ruthenium nitrosyl isonicotinate nicotinate complex preparation cytotoxic activity; crystal structure ruthenium nitrosyl isonicotinate nicotinate complex.

Three novel ruthenium nitrosyl complexes [Ru(NO)Cl3(InicMe)2] (1b), [RuNOCl3(NicEt)2] (1c) and [RuNOCl3(NicMe)2] (1d) (InicMe = Me isonicotinate, NicEt = Et nicotinate, NicMe = = Me nicotinate)were prepared and crystal structure of the complexes were determined by single crystal XRD anal. In all complexes, the organic ligands are coordinated by a pyridine nitrogen atom and located in trans-position each to other and in cis-position to NO group. In the crystal package of all compounds stacking interactions of two types were determined: πarene-πarene and πCOO-πarene stacking. Finally, cytotoxicity of the compounds was tested on Hep2 and HepG2 cell lines. In the set of similar compounds mer-[RuNO(L)2Cl3] (L = Py, γ-Pic, β-Pic, Inic-Alk, Nic-Alk), complexes with iso-nicotinic acid esters are the most toxic, while nicotinic acid derivatives are less toxic and compared with pyridine complex.

Journal of Molecular Structure published new progress about Antitumor agents. 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Application In Synthesis of 93-60-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem